EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M46WMK9JA0
EPA CompTox	DTXSID5027776

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M46WMK9JA0

EPA CompTox

DTXSID5027776


InChI Key	ACNHBJQDDXQFAT-UHFFFAOYSA-K
Smiles	CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC
InChI	InChI=1S/3C11H23NS2.Sb/c31-3-5-7-9-12(11(13)14)10-8-6-4-2;/h33-10H2,1-2H3,(H,13,14);/q;;;+3/p-3

InChI Key

ACNHBJQDDXQFAT-UHFFFAOYSA-K

Smiles

CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC

InChI

InChI=1S/3C11H23NS2.Sb/c3*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,13,14);/q;;;+3/p-3

Property Name	Value
Molecular Formula	C33H66N3S6Sb
Molecular Weight	817.26
AlogP	10.12
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	24.0
Polar Surface Area	9.72
Heavy Atoms	43.0

Property Name

Value

Molecular Formula

C33H66N3S6Sb

Molecular Weight

817.26

AlogP

10.12

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

24.0

Polar Surface Area

9.72

Heavy Atoms

43.0

Resources	Reference
CAS NUMBER	15890-25-2
NORMAN SUSDAT
FDA SRS	M46WMK9JA0

Resources

Reference

CAS NUMBER

15890-25-2

NORMAN SUSDAT

FDA SRS

M46WMK9JA0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ANTIMONY, TRIS(N,N-DIPENTYLCARBAMODITHIOATO-.KAPPA.S,.KAPPA.S')-, (OC-6-11)-

Structure

Physicochemical Descriptors

Cross References